3-ethyl-2,5,6,6-tetramethylheptan-3-ol

C13H28O — CID 156689233

IUPAC3-ethyl-2,5,6,6-tetramethylheptan-3-ol
SMILESCCC(O)(CC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H28O/c1-8-13(14,10(2)3)9-11(4)12(5,6)7/h10-11,14H,8-9H2,1-7H3
InChIKeyNVPGGAWLHJBKCX-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.86
Rot. Bonds4

About 3-ethyl-2,5,6,6-tetramethylheptan-3-ol

3-ethyl-2,5,6,6-tetramethylheptan-3-ol (PubChem CID 156689233) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-ethyl-2,5,6,6-tetramethylheptan-3-ol.

Molecular Properties

Compound Name3-ethyl-2,5,6,6-tetramethylheptan-3-ol
PubChem CID156689233
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3-ethyl-2,5,6,6-tetramethylheptan-3-ol
SMILESCCC(O)(CC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H28O/c1-8-13(14,10(2)3)9-11(4)12(5,6)7/h10-11,14H,8-9H2,1-7H3
InChIKeyNVPGGAWLHJBKCX-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
2,3-Dimethyl-2-hexanol
CID 137270
3,6-Dimethyl-3-heptanol
CID 15297
3,5-Dimethyl-3-heptanol
CID 140546
2,4,6-Trimethylheptan-4-ol
CID 143748
2-Cyclopentylpropan-2-ol
CID 239237
2,2,3-Trimethylhexan-3-ol
CID 95305
4,7-Dimethyl-4-octanol
CID 89224
2,4-Dimethyl-4-octanol
CID 568123
1,1-Diisobutyl-1-butanol
CID 582114
Hexanol, trimethyl-
CID 3034119

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6,6-tetramethylheptan-3-ol?
The IUPAC name of 3-ethyl-2,5,6,6-tetramethylheptan-3-ol (CID 156689233) is 3-ethyl-2,5,6,6-tetramethylheptan-3-ol.
What is the SMILES notation for 3-ethyl-2,5,6,6-tetramethylheptan-3-ol?
The canonical SMILES for 3-ethyl-2,5,6,6-tetramethylheptan-3-ol is CCC(O)(CC(C)C(C)(C)C)C(C)C.
What is the InChIKey of 3-ethyl-2,5,6,6-tetramethylheptan-3-ol?
The InChIKey is NVPGGAWLHJBKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-8-13(14,10(2)3)9-11(4)12(5,6)7/h10-11,14H,8-9H2,1-7H3.
What are the key properties of 3-ethyl-2,5,6,6-tetramethylheptan-3-ol?
3-ethyl-2,5,6,6-tetramethylheptan-3-ol has a molecular weight of 200.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6,6-tetramethylheptan-3-ol is sourced from PubChem (CID 156689233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).